2-Chloro-4-hydroxybenzonitrile - ≥98% , CAS No.3336-16-1

CAS: 3336-16-1 Cat. No.: C123974 Fórmula: ClC₆H₃(OH)CN Peso molecular: 153.57 Número CE: 628-302-3

GRADE & PURITY ≥98%

Synonyms

J-019159 | 2-chloro-4-hydroxy benzonitrile | 3-Chloro-4-cyanophenol | AKOS009156698 | SCHEMBL473963 | TS-02048 | 2-Chloro-4-hydroxybenzonitrile | 2-chloro-4-hydroxy-benzonitrile | Chloro-4-hydroxybenzonitrile;2-Chloro-4-hydroxybenzonitrile | A21036 | MFCD

Storage

Room temperature

Shipped In

Normal

Visão geral

It may be used in the synthesis of 6-aminophenanthridines via Suzuki-Miyaura coupling reaction,and also used in the preparation of 5-bromo-2-chloro-4-hydroxybenzonitrile.

Specifications

Sinónimos

J-019159 | 2-chloro-4-hydroxy benzonitrile | 3-Chloro-4-cyanophenol | AKOS009156698 | SCHEMBL473963 | TS-02048 | 2-Chloro-4-hydroxybenzonitrile | 2-chloro-4-hydroxy-benzonitrile | Chloro-4-hydroxybenzonitrile;2-Chloro-4-hydroxybenzonitrile | A21036 | MFCD

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 488190538
• Sorrisos canónicos: C1=CC(=C(C=C1O)Cl)C#N
• IUPAC Name: 2-chloro-4-hydroxybenzonitrile
• InChIKey: BDDVAWDNVWLHDQ-UHFFFAOYSA-N
• INCHI: 1S/C7H4ClNO/c8-7-3-6(10)2-1-5(7)4-9/h1-3,10H
• SMILES isoméricas: C1=CC(=C(C=C1O)Cl)C#N
• WGK Alemanha: 3
• Peso molecular: 153.57
• Reaxy-Rn: 2936426
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2936426&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzonitriles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzonitriles
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzonitriles
• Alternative Parents: M-chlorophenols Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Nitriles Organopnictogen compounds Organooxygen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzonitrile - 3-halophenol - 3-chlorophenol - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Phenol - Halobenzene - Aryl chloride - Aryl halide - Carbonitrile - Nitrile - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriedades químicas e físicas

• Ponto de fusão (°C): 160°C
• Peso molecular: 153.560 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 152.998 Da
• Monoisotopic Mass: 152.998 Da
• Topological Polar Surface Area: 44.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 162.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 3336-16-1, the molecular formula is C7H4ClNO, and the molecular weight is 153.57 g/mol. InChIKey BDDVAWDNVWLHDQ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.